tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate

C20H30N2O4 — CID 102439306

IUPACtert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate
SMILESCOC1=N[C@H](C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)17-21-16(25-7)14(15(23)13-11-9-8-10-12-13)22(17)18(24)26-20(4,5)6/h8-12,14-15,17,23H,1-7H3/t14-,15-,17-/m0/s1
InChIKeyAXOQSYPYVHLHNM-ZOBUZTSGSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate

tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate (PubChem CID 102439306) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate
PubChem CID102439306
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate
SMILESCOC1=N[C@H](C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-19(2,3)17-21-16(25-7)14(15(23)13-11-9-8-10-12-13)22(17)18(24)26-20(4,5)6/h8-12,14-15,17,23H,1-7H3/t14-,15-,17-/m0/s1
InChIKeyAXOQSYPYVHLHNM-ZOBUZTSGSA-N
XLogP3.76
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-cyclohexyl(hydroxy)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate
CID 10832846
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl (2S,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-propan-2-yl-1,3-thiazolidine-3-carboxylate
CID 101046745
benzyl (2R,4S,5R)-2-tert-butyl-5-[(1S)-1-hydroxy-2-methylpropyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate
CID 10739165
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (2S,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
CID 159025336
tert-butyl (2R)-6-hydroxy-2-[(R)-methoxymethoxy(phenyl)methyl]-3-oxo-2,6-dihydropyridine-1-carboxylate
CID 101373630
tert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5R)-2-[(R)-hydroxy(phenyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylate
CID 159009026
tert-butyl 9-ethyl-7-[(R)-hydroxy(phenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 68850522
tert-butyl (1S,5R)-3-(1-phenylethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11278980

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate (CID 102439306) is tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate is COC1=N[C@H](C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate?
The InChIKey is AXOQSYPYVHLHNM-ZOBUZTSGSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-19(2,3)17-21-16(25-7)14(15(23)13-11-9-8-10-12-13)22(17)18(24)26-20(4,5)6/h8-12,14-15,17,23H,1-7H3/t14-,15-,17-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate?
tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-tert-butyl-4-[(S)-hydroxy(phenyl)methyl]-5-methoxy-2,4-dihydroimidazole-3-carboxylate is sourced from PubChem (CID 102439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).